Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------MERKTVLYIAVSLDGMIAKEDGSIDWLDEFEGEGDNGYSDFYQTVDTVILGRSTYEH----------------VKVL----------TPVFPYQDKTCYVFTGSP------DSYQDEHVTFI-----NEGARAFTARLKQEKGSNIWIAGGAELVNDFMKEDAIDEFIITVIPVVLGSGIPL-------FHELTNETKLRLKGTKQFGQAVQLHYVRA 2B3Z Chain:A ((13-371)) MEEYYMKLALDLAKQGEGQTESNPLVGAVVVKDGQIVGMGAHLKYGEAHAEVHAIHMAGAHAEGADIYVTLEPCSHYGKTPPCAELIINSGIKRVFVAMRDPNPLVAGRGISMMKEAGIEVREGILADQAERLNEKFLHFMRTGLPYVTLKAAASLDGKIATSTGDSKWITSEAARQDAQQ--YRKTHQSILVGVGTVKADNPSLTCRLPNVTKQPVRVILDTVLSIPEDAKVICDQIAPTWIFTTARADEEKKKRLSAFGVNIFTLETERIQIPDVLKILAEEGIMSVYVEGGSAVHGSFVKEGCFQEIIFYFAPKLIGGTHAPSLISGEGFQSMKDVPLLQFTDITQIGRDIKLTAKPT

General information: TITO was launched using: RESULT: Template: 2B3Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 848 -13537 -15.96 -78.70 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -15.96 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_2B3Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3Z-query.scw PDB file : Tito_Scwrl_2B3Z.pdb: